SCHEMBL4896931

SCHEMBL4896931

O=C(O)c1coc(-c2cccc(OCc3ccccc3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
NR4A2 P43354 2/20 0.52
DHODH Q02127 4/20 0.51
MCL1 Q07820 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PPARA Q07869 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
SRD5A2 P31213 1/20 0.47
PTGER4 P35408 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4896482 0.89 PPARA (0.52) MRGPRX4NR4A2DHODHHDAC1HDAC8
SCHEMBL5184285 0.83 MRGPRX4 (0.48) MRGPRX4NR4A2DHODHPPARANR1H4
SCHEMBL4894485 0.83 DGAT2 (0.49) HDAC1HDAC8HDAC6PPARANR1H4
SCHEMBL2866326 0.83 MAPT (0.54) DHODHHDAC1HDAC8HDAC6NR1H4
SCHEMBL5186489 0.81 MAOB (0.49) DHODHPPARAMAOBALDH1A1
SCHEMBL2881741 0.81 PDE4B (0.65) HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL5186495 0.80 PPARA (0.51) MRGPRX4NR4A2DHODHPPARANR1H4
SCHEMBL17037225 0.79 PDE4A (0.53) MRGPRX4HDAC1HDAC8HDAC6SRD5A2
SCHEMBL5761027 0.79 PPARA (0.49) PPARAMAOBALDH1A1
SCHEMBL2870864 0.79 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 MRGPRX4 1186/4885NR4A2 1406/4885DHODH 3396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.